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CS-W001157 4
Total: USD 88.00

2-Hydroxy-2-(3-nitrophenyl)acetic acid

  • CAS No. 42164-79-4

  • Cat. No. CS-0156983
  • Purity≥97%
  • MDL No.MFCD00041429

*For research and further manufacturing use only, not for direct human use.

2-Hydroxy-2-(3-nitrophenyl)acetic acid|CS-0156983

Structure of 42164-79-4

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General Information

  • CAS No. 42164-79-4
  • Cat. No. CS-0156983
  • Purity ≥97%
  • MDL No. MFCD00041429
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) α-Hydroxy-3-nitrobenzeneacetic acid
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)O)O

Synthesis

  • Route1
    • null|null
      7677-24-9
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • ~85%
    • In-stock
      2-Hydroxy-2-(3-nitrophenyl)acetic acid|CS-0156983
      42164-79-4

    References

    • Campbell, Robert F.; Fitzpatrick, Kevin; Inghardt, Tord; Karlsson, Olle; Nilsson, Kristina; Reilly, John E.; Yet, Larry Tetrahedron Letters, 2003 , vol. 44, # 29 p. 5477 - 5481
  • Route2
    • null|null
      93555-01-2
    • ~%
    • In-stock
      2-Hydroxy-2-(3-nitrophenyl)acetic acid|CS-0156983
      42164-79-4

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/48335 A2, 2004 ; Location in patent: Page 52-53 ; WO 2004/048335 A2
  • Route3
    • null|null
      6890-77-3
    • ~%
    • In-stock
      2-Hydroxy-2-(3-nitrophenyl)acetic acid|CS-0156983
      42164-79-4

    References

    • Evans; Witzemann Journal of the American Chemical Society, 1911 , vol. 33, p. 1773

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   100.67
  • LogP   0.7128
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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